N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide

C20H16N4O2 — CID 121022690

IUPACN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H16N4O2/c25-20(16-4-1-5-18(11-16)24-8-3-7-23-24)22-13-15-10-17(14-21-12-15)19-6-2-9-26-19/h1-12,14H,13H2,(H,22,25)
InChIKeyOFAXMMRVRYLRTK-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.46
Rot. Bonds5

About N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide

N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 121022690) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
PubChem CID121022690
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1cncc(-c2ccco2)c1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C20H16N4O2/c25-20(16-4-1-5-18(11-16)24-8-3-7-23-24)22-13-15-10-17(14-21-12-15)19-6-2-9-26-19/h1-12,14H,13H2,(H,22,25)
InChIKeyOFAXMMRVRYLRTK-UHFFFAOYSA-N
XLogP3.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-4-(trifluoromethyl)benzamide
CID 121197015
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3,4-dimethoxybenzamide
CID 121197008
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-pyrrol-1-ylacetamide
CID 121197083
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
2-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]benzamide
CID 121197121
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121197199
3-[[5-(furan-2-yl)-3-pyridinyl]methyl]-1,1-dimethylurea
CID 121197182
4-bromo-N-[[5-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 119105467

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide (CID 121022690) is N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide is O=C(NCc1cncc(-c2ccco2)c1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is OFAXMMRVRYLRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(16-4-1-5-18(11-16)24-8-3-7-23-24)22-13-15-10-17(14-21-12-15)19-6-2-9-26-19/h1-12,14H,13H2,(H,22,25).
What are the key properties of N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide?
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 344.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 121022690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).